2,2,2-trifluoro-N-(3-formamidopropyl)acetamide

C6H9F3N2O2 — CID 110461270

IUPAC2,2,2-trifluoro-N-(3-formamidopropyl)acetamide
SMILESO=CNCCCNC(=O)C(F)(F)F
InChIInChI=1S/C6H9F3N2O2/c7-6(8,9)5(13)11-3-1-2-10-4-12/h4H,1-3H2,(H,10,12)(H,11,13)
InChIKeyHVHYXZRZDDFMPY-UHFFFAOYSA-N
MW198.14 g/mol
LogP-0.20
Rot. Bonds5

About 2,2,2-trifluoro-N-(3-formamidopropyl)acetamide

2,2,2-trifluoro-N-(3-formamidopropyl)acetamide (PubChem CID 110461270) has the molecular formula C6H9F3N2O2 and a molecular weight of 198.14 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-(3-formamidopropyl)acetamide.

Molecular Properties

Compound Name2,2,2-trifluoro-N-(3-formamidopropyl)acetamide
PubChem CID110461270
Molecular FormulaC6H9F3N2O2
Molecular Weight198.14 g/mol
Exact Mass198.06
IUPAC Name2,2,2-trifluoro-N-(3-formamidopropyl)acetamide
SMILESO=CNCCCNC(=O)C(F)(F)F
InChIInChI=1S/C6H9F3N2O2/c7-6(8,9)5(13)11-3-1-2-10-4-12/h4H,1-3H2,(H,10,12)(H,11,13)
InChIKeyHVHYXZRZDDFMPY-UHFFFAOYSA-N
XLogP-0.20
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.14
LogP ≤ 5-0.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[3-[(2,2,2-trifluoroacetyl)amino]propyl]prop-2-enamide
CID 18970234
2,2,2-trifluoro-N-[3-[(15,15,15-trifluoro-14-oxopentadecyl)amino]propyl]acetamide
CID 58152578
2,2,2-trifluoro-N-icosylacetamide
CID 91692791
N-dodecyl-2-(18F)fluoro-2,2-difluoroacetamide
CID 177484696
2,2,2-trifluoro-N-[5-[(5,5,5-trifluoro-4-oxopentyl)amino]pentyl]acetamide
CID 123568887
2,2,2-trifluoro-N-[3-(methoxyamino)propyl]acetamide
CID 130627633
2,2,2-trifluoro-N-(5-methylheptyl)acetamide
CID 143979183
2-bromo-N-(3-formamidopropyl)acetamide
CID 122608311
2,2,2-trifluoro-N-[3-[3-[(2,2,2-trifluoroacetyl)-[3-[(2,2,2-trifluoroacetyl)amino]propyl]amino]propylamino]propyl]acetamide
CID 146412399
2,2,2-trifluoro-N-[3-(methanesulfonamido)propyl]acetamide
CID 103637532
2,2,2-trifluoro-N-(7-methyloctyl)acetamide
CID 62491646
N-(5-cyanopentyl)-2,2,2-trifluoroacetamide
CID 130012441

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-N-(3-formamidopropyl)acetamide?
The IUPAC name of 2,2,2-trifluoro-N-(3-formamidopropyl)acetamide (CID 110461270) is 2,2,2-trifluoro-N-(3-formamidopropyl)acetamide.
What is the SMILES notation for 2,2,2-trifluoro-N-(3-formamidopropyl)acetamide?
The canonical SMILES for 2,2,2-trifluoro-N-(3-formamidopropyl)acetamide is O=CNCCCNC(=O)C(F)(F)F.
What is the InChIKey of 2,2,2-trifluoro-N-(3-formamidopropyl)acetamide?
The InChIKey is HVHYXZRZDDFMPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9F3N2O2/c7-6(8,9)5(13)11-3-1-2-10-4-12/h4H,1-3H2,(H,10,12)(H,11,13).
What are the key properties of 2,2,2-trifluoro-N-(3-formamidopropyl)acetamide?
2,2,2-trifluoro-N-(3-formamidopropyl)acetamide has a molecular weight of 198.14 g/mol, XLogP of -0.20, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-N-(3-formamidopropyl)acetamide is sourced from PubChem (CID 110461270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).